4-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(1-isopropyltetrazol-5-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(1-propan-2-yl-5-tetrazolyl)thio]methyl]benzonitrile IUPAC Name: 4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(1-isopropyltetrazol-5-yl)thio]methyl]benzonitrile Formula: C12H13N5S MolecularWeight: 259.33012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)SCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)N1C(=NN=N1)SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C12H13N5S/c1-9(2)17-12(14-15-16-17)18-8-11-5-3-10(7-13)4-6-11/h3-6,9H,8H2,1-2H3